N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine

C31H20N2O2 — CID 167127377

IUPACN,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3cc4c(oc5ccccc54)c(N(c4ccccc4)c4ccccc4)c3o2)cc1
InChIInChI=1S/C31H20N2O2/c1-4-12-21(13-5-1)31-32-26-20-25-24-18-10-11-19-27(24)34-29(25)28(30(26)35-31)33(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H
InChIKeyJANVZBFLZQMKIT-UHFFFAOYSA-N
MW452.51 g/mol
LogP8.86
Rot. Bonds4

About N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine

N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine (PubChem CID 167127377) has the molecular formula C31H20N2O2 and a molecular weight of 452.51 g/mol. Its IUPAC name is N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
PubChem CID167127377
Molecular FormulaC31H20N2O2
Molecular Weight452.51 g/mol
Exact Mass452.15
IUPAC NameN,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3cc4c(oc5ccccc54)c(N(c4ccccc4)c4ccccc4)c3o2)cc1
InChIInChI=1S/C31H20N2O2/c1-4-12-21(13-5-1)31-32-26-20-25-24-18-10-11-19-27(24)34-29(25)28(30(26)35-31)33(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H
InChIKeyJANVZBFLZQMKIT-UHFFFAOYSA-N
XLogP8.86
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenanthren-9-yl-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167128970
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167129313
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167127343
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167129252
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167128770
5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine
CID 170247817
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128971
N,2,4-triphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline
CID 167128468
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167124758
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167128306
3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754352
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
CID 176851605

Frequently Asked Questions

What is the IUPAC name of N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine?
The IUPAC name of N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine (CID 167127377) is N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine.
What is the SMILES notation for N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine?
The canonical SMILES for N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine is c1ccc(-c2nc3cc4c(oc5ccccc54)c(N(c4ccccc4)c4ccccc4)c3o2)cc1.
What is the InChIKey of N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine?
The InChIKey is JANVZBFLZQMKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O2/c1-4-12-21(13-5-1)31-32-26-20-25-24-18-10-11-19-27(24)34-29(25)28(30(26)35-31)33(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H.
What are the key properties of N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine?
N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine has a molecular weight of 452.51 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine is sourced from PubChem (CID 167127377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).